methyl 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-22-13(19)7-10-6-12(18)16-14(15-10)23-8-9-2-4-11(5-3-9)17(20)21/h2-6H,7-8H2,1H3,(H,15,16,18)